CCOC(OCC)(OCC)c1ccccc1
Name: triethyl orthobenzoate
SMILES: CCOC(OCC)(OCC)c1ccccc1

Molecular Processing

Molecular formula
C13H20O3
Molecular weight
224.3
Exact mass
224.1412
XLogP
2.91
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
63

Supplementary Information

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